Vitas-M small molecule compound
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxamide
Catalog ID
STK308749
SMILES O=C(c1ccn(n1)COc1cc(C)c(c(c1)C)Cl)Nc1sc2c(c1C(=O)N)CCCC2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H23ClN4O3S MW 458.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN4O3S/c1-12-9-14(10-13(2)19(12)23)30-11-27-8-7-16(26-27)21(29)25-22-18(20(24)28)15-5-3-4-6-17(15)31-22/h7-10H,3-6,11H2,1-2H3,(H2,24,28)(H,25,29)InChIKey
QKHFOLQBKPQUPG-UHFFFAOYSA-NSynonyms
1005605-92-41005605924
CC1=CC(=CC(=C1Cl)C)OCN2C=CC(=N2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N
InChI=1SC22H23ClN4O3Sc112914(1013(2)19(12)23)3011278716(2627)21(29)252218(20(24)28)15534617(15)3122h710H3611H212H3(H22428)(H2529)
MFCD04132634
N(3carbamoyl4567tetrahydro1benzothiophen2yl)1((4chloro35dimethylphenoxy)methyl)1Hpyrazole3carboxamide
N(3carbamoyl4567tetrahydro1benzothiophen2yl)1((4chloro35dimethylphenoxy)methyl)pyrazole3carboxamide
ZINC000002798111
ZINC02798111
ZINC2798111
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